1-(4-甲基-1,2,5-恶二唑-3-基)丙酮 | 627904-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(4-甲基-1,2,5-恶二唑-3-基)丙酮
• 英文名称: 1-(4-methylfurazan-3-yl)acetone
• 英文别名: 3-Acetonyl-4-methyl-furazan；1-(4-methyl-furazan-3-yl)-propan-2-one；(methyl-furazan-3-yl)-acetone；(Methyl-furazan-3-yl)-aceton；1-(4-Methyl-1,2,5-oxadiazol-3-yl)propan-2-one
• CAS: 627904-53-4
• 化学式: C₆H₈N₂O₂
• 分子量: 140.142
• InChiKey: MTNALGFZTROQDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-甲基-1,2,5-恶二唑-3-基)丙酮 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 以57%的产率得到1-hydroxyimino-1-(4-methylfurazan-3-yl)acetone
  参考文献：
  名称：

  摘要：

  The reactions of Li derivatives of methylfurazans with electrophilic reagents and oxidants were investigated. A series of functionalized furazanylethane derivatives were prepared.

  DOI：

  10.1023/a:1023967008642
• 作为产物：
  描述：

  hexane-2,3,5-trione trioxime 在 乙醇 、 硫酸 作用下， 生成 1-(4-甲基-1,2,5-恶二唑-3-基)丙酮
  参考文献：
  名称：

  Morelli; Marchetti, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1908, vol. <5> 17 I, p. 253

  摘要：

  DOI：

文献信息

• HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS
  申请人：Berger Richard

  公开号：US20090253705A1

  公开（公告）日：2009-10-08

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式(I)的化合物，其药物组成物以及使用该化合物在治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。
• PYRROLIDINYL SULFONE RORGAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150191483A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱困扰的主体中是有用的，例如，主体将从调节RORγ活性中获益的自免疫和/或炎症紊乱。
• Compounds
  申请人：Alcaraz Lilian

  公开号：US20090298807A1

  公开（公告）日：2009-12-03

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式 I 的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的应用。
• Ajello; Cusmano, Gazzetta Chimica Italiana, 1939, vol. 69, p. 391,394
  作者：Ajello、Cusmano

  DOI：——

  日期：——
• PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20160326108A1

  公开（公告）日：2016-11-10

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.